A convenient synthesis, in silico study and crystal structure of novel sulfamidophosphonates: Interaction with SARS-CoV-2

被引：3

作者：

Redjemia, Rayenne ^{[1
]}

Berredjem, Malika ^{[1
]}

Dekir, Ali ^{[1
]}

Ibrahim-Ouali, Malika ^{[2
]}

Aissaoui, Mohamed ^{[1
]}

Bouacida, Sofiane ^{[3
,4
]}

Bouzina, Abdeslem ^{[1
]}

Bahadi, Rania ^{[1
]}

机构：

[1] Univ Badji Mokhtar Annaba, Lab Chim Organ Appliquee LCOA, Grp Synth Biomol & Modelisat Mol, BP 12, Annaba 23000, Algeria

[2] Aix Marseille Univ, CNRS, Cent Marseille, iSm2, Marseille, France

[3] Univ Oum El Bouaghi, Dept Sci Matiere, Oum El Bouaghi 04000, Algeria

[4] Univ Freres Mentouri Constantine, Unite Rech Chim Environm & Mol Struct, Constantine 25000, Algeria

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2023年 / 1275卷

关键词：

Sulfamidophosphonate; Ultrasound irradiation; Green synthesis; Docking study; X-ray structure; SARS-CoV-2; N-ACYLSULFONAMIDES; RESISTANT; DOCKING; GLIDE;

D O I：

10.1016/j.molstruc.2022.134602

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A one-pot synthetic strategy was developed for the synthesis of novel sulfamidophosphonates via a three -component Kabachnik-Fields reaction of sulfanilamide, triethyl phosphite, and various aldehyde using ul-trasound irradiation. Seven organophosphorus derivatives were synthesized with high yields through this newly developed method. The target compounds were characterized by 1 H, 31 P, 13 C NMR, and IR. The molecular structure of 4a was obtained by X-ray diffraction on the monocrystal. Crystal belongs to the orthorhombic system with space groups Pbca. Insight into the binding mode of the synthesized com-pounds (ligand) into the binding sites of SARS-CoV2 (PDF code: 5R80 ) was provided by docking studies, performed with the help of Maestro 9.0 docking software.(c) 2022 Elsevier B.V. All rights reserved.

引用

页数：12

共 37 条

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